SCHEMBL16202085

SCHEMBL16202085

Cc1ccc(-n2cc(C)c(C)n2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
ALDH1A1 P00352 7/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 3/20 0.47
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
ADRB1 P08588 1/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
PAX8 Q06710 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16910889 0.83 ALDH1A1 (0.43) NOTUMALDH1A1MEN1KMT2ANPC1
SCHEMBL16911082 0.82 NPC1 (0.40) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL16202077 0.79 NOTUM (0.48) NOTUMALDH1A1NPC1GAAMAPT
SCHEMBL16202083 0.79 CNR1 (0.47) NOTUMALDH1A1MEN1KMT2ANPC1
SCHEMBL24185328 0.76 PTGS2 (0.44) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL2611844 0.76 NPC1 (0.44) NOTUMALDH1A1MEN1KMT2ANPC1
SCHEMBL16202074 0.76 CNR1 (0.47) NOTUMALDH1A1MEN1KMT2ANPC1
SCHEMBL5341410 0.75 RAB9A (0.50) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL16987271 0.74 RAB9A (0.46) ALDH1A1MEN1KMT2ANPC1KDM4E
SCHEMBL18831455 0.74 MEN1 (0.53) NOTUMALDH1A1MEN1KMT2ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2016-09-01 US disclosed
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-26 US disclosed
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi BASF SE (DE) 2016-05-26 US disclosed
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI BASF SE (DE) 2016-05-05 US disclosed
US-9271501-B2 Use of strobilurin type compounds for combating phytopathogenic fungi resistant to QO inhibitors BASF SE (DE) 2016-03-01 US disclosed
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors BASF SE (DE) 2014-10-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160122327-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI SNX1, DPM1, SNU13 NOTUM 2417/4885ALDH1A1 2106/4885MEN1 2118/4885
US-20160145219-A1 STROBILURIN TYPE COMPOUNDS FOR COMBATING PHYTOPATHOGENIC FUNGI DPM1, CROCC, SNX1 NOTUM 2527/4885ALDH1A1 3309/4885MEN1 3302/4885
US-20160145202-A1 Strobilurin Type Compounds for Combating Phytopathogenic Fungi DPM1, CROCC, SNX1 NOTUM 2527/4885ALDH1A1 3309/4885MEN1 3302/4885
US-20140323305-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885ALDH1A1 2278/4885MEN1 2720/4885
US-20160249615-A1 Use of Strobilurin Type Compounds for Combating Phytopathogenic Fungi Resistant to QO Inhibitors SQOR, COX5B, UQCRB NOTUM 3419/4885ALDH1A1 2278/4885MEN1 2720/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.